ethyl 1-[(5-chloranylthiophen-2-yl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylate

Systemtic Name: ethyl 1-[(5-chloranylthiophen-2-yl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylate Openeye Name: ethyl 1-[(5-chloro-2-thienyl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chlorothiophen-2-yl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid ethyl ester Formula: C22H25ClN2O3S MolecularWeight: 432.9635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC=C(S3)Cl)C=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC=C(S3)Cl)C=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H25ClN2O3S/c1-5-28-21(27)18-11-14-10-15(24-20(26)12-22(2,3)4)6-8-17(14)25(18)13-16-7-9-19(23)29-16/h6-11H,5,12-13H2,1-4H3,(H,24,26)